Dataset

Perindoprilat (diacid form)

This MassBank record with Accession MSBNK-Waters-WA002382 contains the MS mass spectrum of Perindoprilat (diacid form) with the InChIkey ODAIHABQVKJNIY-PEDHHIEDSA-N.

Chemical Info

InChI	InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1
SMILES	CCCC(C(O)=O)NC(C)C(=O)N(C(C(O)=O)1)C([H])(C2)C([H])(CCC2)C1
InChI Key	ODAIHABQVKJNIY-PEDHHIEDSA-N
Molecular Formula	C17H28N2O5
Exact Mass	340.200 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002382
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:45:51.524531
MetadataModified	2024-01-11T22:45:51.724843
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
ZINC000004217270	ZINC
132041	ChEBI
S-9780	clinicaltrials
PERINDOPRILAT	clinicaltrials
PERINDOPRILAT	rxnorm
PERINDOPRILAT	DailyMed
CB0240343	ChemicalBook
HMDB0060574	Human Metabolome Database
13500	Brenda
DTXSID90869249	EPA CompTox Dashboard
DB14213	DrugBank
MTBLC132041	Metabolights
95153-31-4	ACToR
2UV6ZNQ92K	FDA SRS
PD001184	ProbesDrugs
14802367	PubChem: Thomson Pharma
J33.388C	Nikkaji
72022	PubChem
6373	Guide to Pharmacology
SCHEMBL564053	SureChEMBL
BECWIR	CCDC
CHEMBL1201368	ChEMBL
X94	PDBe
36754394	eMolecules
The data in this table is sourced from UniChem at EBI.